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CAS 850567-37-2 3-(THIOMORPHOLIN-4-YLCARBONYL)BENZENEBORONIC ACID molecular structure lightbox
CAS RN: 850567-37-2

3-(THIOMORPHOLIN-4-YLCARBONYL)BENZENEBORONIC ACID

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260328 1g Out of stock Inquiry
Batchno.20250514 250mg Out of stock Inquiry
Batchno.20250714 5g Out of stock Inquiry
  • Product code: SSC-192988
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 850567-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

850567-37-2 / [3-(thiomorpholine-4-carbonyl)phenyl]boronic acid

Standard CAS: 850567-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850567-37-2
Multi CAS
No
Molecular Formula
BC11H14NO3S
Molecular Weight
251.110000
Exact Mass
251.078745
InChI
InChI=1S/C11H14BNO3S/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h1-3,8,15-16H,4-7H2
InChIKey
KBUOGQLZRICCMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.5
TPSA
60.77

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.44
Consensus LogP
-0.42
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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